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Molecule
4-Methoxy-1H-Indazol-3-Amine
CAS: 886362-07-8 · C8H9N3O
2D Structure
3D Structure
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Basic Information
- CAS Registry Number
- 886362-07-8
- Molecular Formula
- C8H9N3O
- Molecular Mass
- 163.18 g/mol
Identifiers
CAS Registry Number
886362-07-8
SMILES
COc1cccc2[nH][nH]c(=N)c12
InChI Key
JZAMRGWQDJMEJD-UHFFFAOYSA-N
InChI
InChI=1S/C8H9N3O/c1-12-6-4-2-3-5-7(6)8(9)11-10-5/h2-4H,1H3,(H3,9,10,11)
Names and Synonyms
- 4-Methoxy-1H-Indazol-3-Amine Systematic Name
- 1H-Indazol-3-amine, 4-methoxy- Synonym
- 4-Methoxy-1H-indazol-3-amine Synonym
- 4-(Methyloxy)-1H-indazol-3-amine Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 163.18 g/mol | CAS Common Chemistry |
| 164.188 g/mol | chempirical lib | |
| Canonical SMILES | N=1NC=2C=CC=C(OC)C2C1N | CAS Common Chemistry |
| InChI | InChI=1S/C8H9N3O/c1-12-6-4-2-3-5-7(6)8(9)11-10-5/h2-4H,1H3,(H3,9,10,11) | CAS Common Chemistry |
| InChI Key | InChIKey=JZAMRGWQDJMEJD-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 163-166 °C @ Solvent: Methanol | CAS Common Chemistry |
| Name | 4-Methoxy-1H-indazol-3-amine | CAS Common Chemistry |
| Heavy Atom Count | 12 | RDKit |
| Hydrogen Bond Acceptors | 2 | RDKit |
| Hydrogen Bond Donors | 3 | RDKit |
| Rotatable Bonds | 1 | RDKit |
| Aromatic Ring Count | 2 | RDKit |
| Topological Polar Surface Area | 64.66 Ų | RDKit |
| LogP | 0.9840699999999998 | RDKit |
| 0.9841 | RDKit | |
| Molar Refractivity | 45.05610000000001 cm³/mol | RDKit |
| Ring Count | 2 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.125 | RDKit |
| Exact Mass | 163.074561908 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
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1
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| Shift (ppm) | Multiplicity | Integration | Assignment |
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200 ppm
180
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| Shift (ppm) | DEPT | Assignment |
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Note: These NMR spectra are predicted computationally and may differ from experimental data. Predictions are based on chemical environment analysis.
External Resources
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MW = 163.18 g/mol. Edit any field — others recompute live.
Related
Related molecules
Other compounds with formula C8H9N3O.
